3-(2-methoxyphenoxy)-7-[(4-methoxyphenyl)methoxy]-4H-chromen-4-one

• ChemBase ID: 199438
• Molecular Formular: C24H20O6
• Molecular Mass: 404.412
• Monoisotopic Mass: 404.12598836
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccc(cc1)OC)cc2)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)COc1ccc2c(c1)occ(c2=O)Oc1ccccc1OC
• InChI: InChI=1S/C24H20O6/c1-26-17-9-7-16(8-10-17)14-28-18-11-12-19-22(13-18)29-15-23(24(19)25)30-21-6-4-3-5-20(21)27-2/h3-13,15H,14H2,1-2H3
• InChIKey: ZMKKQFVOQQRQDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)-7-[(4-methoxyphenyl)methoxy]-4H-chromen-4-one
• IUPAC Traditional name: 3-(2-methoxyphenoxy)-7-[(4-methoxyphenyl)methoxy]chromen-4-one

Database IDs

• PubChem SID: 164255348
• PubChem CID: 1755408

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.477968
• LogD (pH = 7.4): 4.477968
• Log P: 4.477968
• Molar Refractivity: 111.5176 cm^3
• Polarizability: 43.01936 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds